1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol

C10H17NOS — CID 104769495

IUPAC1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1nc(C)cs1
InChIInChI=1S/C10H17NOS/c1-3-4-5-6-9(12)10-11-8(2)7-13-10/h7,9,12H,3-6H2,1-2H3
InChIKeyLUSIURQRLFCHJS-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol

1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol (PubChem CID 104769495) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
PubChem CID104769495
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1nc(C)cs1
InChIInChI=1S/C10H17NOS/c1-3-4-5-6-9(12)10-11-8(2)7-13-10/h7,9,12H,3-6H2,1-2H3
InChIKeyLUSIURQRLFCHJS-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
CID 104769579
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
2-(1-hydroxyhexadecyl)-1,3-thiazole-4-carboxylic acid
CID 123957885
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
2-[2-(1-hydroxyhexadecyl)-1,3-thiazol-4-yl]acetic acid
CID 123466520
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
CID 165485806
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol (CID 104769495) is 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol is CCCCCC(O)c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol?
The InChIKey is LUSIURQRLFCHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-4-5-6-9(12)10-11-8(2)7-13-10/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol?
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol is sourced from PubChem (CID 104769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).